4-[[(2S)-2,3-bis(azanyl)propoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(2S)-2,3-bis(azanyl)propoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[(2S)-2,3-diaminopropoxy]methyl]benzonitrile CAS Name: 4-[[(2S)-2,3-diaminopropoxy]methyl]benzonitrile IUPAC Name: 4-[[(2S)-2,3-diaminopropoxy]methyl]benzonitrile Traditional Name: 4-[[(2S)-2,3-diaminopropoxy]methyl]benzonitrile Formula: C11H15N3O MolecularWeight: 205.2563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COCC(CN)N)C#N

Isomeric SMILES

C1=CC(=CC=C1COC[C@H](CN)N)C#N

InChI

InChI=1S/C11H15N3O/c12-5-9-1-3-10(4-2-9)7-15-8-11(14)6-13/h1-4,11H,6-8,13-14H2/t11-/m0/s1